[1-amino-2-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]cyclopentyl]methanol

C12H20ClN3O — CID 79581981

IUPAC[1-amino-2-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]cyclopentyl]methanol
SMILESCc1nn(CCC2CCCC2(N)CO)cc1Cl
InChIInChI=1S/C12H20ClN3O/c1-9-11(13)7-16(15-9)6-4-10-3-2-5-12(10,14)8-17/h7,10,17H,2-6,8,14H2,1H3
InChIKeyGZWCZESMSJGVLK-UHFFFAOYSA-N
MW257.76 g/mol
LogP1.72
Rot. Bonds4

About [1-amino-2-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]cyclopentyl]methanol

[1-amino-2-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]cyclopentyl]methanol (PubChem CID 79581981) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is [1-amino-2-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-2-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]cyclopentyl]methanol
PubChem CID79581981
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name[1-amino-2-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]cyclopentyl]methanol
SMILESCc1nn(CCC2CCCC2(N)CO)cc1Cl
InChIInChI=1S/C12H20ClN3O/c1-9-11(13)7-16(15-9)6-4-10-3-2-5-12(10,14)8-17/h7,10,17H,2-6,8,14H2,1H3
InChIKeyGZWCZESMSJGVLK-UHFFFAOYSA-N
XLogP1.72
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentyl]methanol
CID 79581671
[1-amino-2-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol
CID 114540899
3-(4-chloro-3-methylpyrazol-1-yl)-N-cyclohexylpropanamide
CID 19544037
[1-amino-2-[2-(4,4-dimethylazepan-1-yl)ethyl]cyclopentyl]methanol
CID 79571817
[1-amino-2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]cyclopentyl]methanol
CID 79571094
[1-amino-2-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclopentyl]methanol
CID 79571172
2-(4-chloro-3-methylpyrazol-1-yl)-1-cyclohexylethanone
CID 104751490
[1-amino-2-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol
CID 79571982
4-chloro-1-(2-fluoroethyl)-3-methylpyrazole
CID 97182111
[1-amino-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentyl]methanol
CID 79581199
[1-amino-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentyl]methanol
CID 79581557
[1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentyl]methanol
CID 114792963

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]cyclopentyl]methanol?
The IUPAC name of [1-amino-2-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]cyclopentyl]methanol (CID 79581981) is [1-amino-2-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-2-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-amino-2-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]cyclopentyl]methanol is Cc1nn(CCC2CCCC2(N)CO)cc1Cl.
What is the InChIKey of [1-amino-2-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]cyclopentyl]methanol?
The InChIKey is GZWCZESMSJGVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-9-11(13)7-16(15-9)6-4-10-3-2-5-12(10,14)8-17/h7,10,17H,2-6,8,14H2,1H3.
What are the key properties of [1-amino-2-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]cyclopentyl]methanol?
[1-amino-2-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]cyclopentyl]methanol has a molecular weight of 257.76 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]cyclopentyl]methanol is sourced from PubChem (CID 79581981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).